N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline

C16H17Cl2NO — CID 70632999

IUPACN-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline
SMILESCCN(c1ccccc1)C(C)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-3-19(13-8-5-4-6-9-13)12(2)20-16-14(17)10-7-11-15(16)18/h4-12H,3H2,1-2H3
InChIKeyKAZYHBMVZRMDIK-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.24
Rot. Bonds5

About N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline

N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline (PubChem CID 70632999) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline
PubChem CID70632999
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline
SMILESCCN(c1ccccc1)C(C)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-3-19(13-8-5-4-6-9-13)12(2)20-16-14(17)10-7-11-15(16)18/h4-12H,3H2,1-2H3
InChIKeyKAZYHBMVZRMDIK-UHFFFAOYSA-N
XLogP5.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline?
The IUPAC name of N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline (CID 70632999) is N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline.
What is the SMILES notation for N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline?
The canonical SMILES for N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline is CCN(c1ccccc1)C(C)Oc1c(Cl)cccc1Cl.
What is the InChIKey of N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline?
The InChIKey is KAZYHBMVZRMDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-3-19(13-8-5-4-6-9-13)12(2)20-16-14(17)10-7-11-15(16)18/h4-12H,3H2,1-2H3.
What are the key properties of N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline?
N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline has a molecular weight of 310.22 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline is sourced from PubChem (CID 70632999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).